3-[[4-[(2-bromanyl-4-methyl-phenyl)diazenyl]-3-methyl-phenyl]-(2-cyanoethyl)amino]propanenitrile

Systemtic Name: 3-[[4-[(2-bromanyl-4-methyl-phenyl)diazenyl]-3-methyl-phenyl]-(2-cyanoethyl)amino]propanenitrile Openeye Name: 3-[4-(2-bromo-4-methyl-phenyl)azo-N-(2-cyanoethyl)-3-methyl-anilino]propanenitrile CAS Name: 3-[4-(2-bromo-4-methylphenyl)azo-N-(2-cyanoethyl)-3-methylanilino]propanenitrile IUPAC Name: 3-[4-[(2-bromo-4-methylphenyl)diazenyl]-N-(2-cyanoethyl)-3-methylanilino]propanenitrile Traditional Name: 3-[4-(2-bromo-4-methyl-phenyl)azo-N-(2-cyanoethyl)-3-methyl-anilino]propionitrile Formula: C20H20BrN5 MolecularWeight: 410.3103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N=NC2=C(C=C(C=C2)N(CCC#N)CCC#N)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)N=NC2=C(C=C(C=C2)N(CCC#N)CCC#N)C)Br

InChI

InChI=1S/C20H20BrN5/c1-15-5-7-20(18(21)13-15)25-24-19-8-6-17(14-16(19)2)26(11-3-9-22)12-4-10-23/h5-8,13-14H,3-4,11-12H2,1-2H3